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(1'R,3aS,7aS)-1'-(5-keto-5-methoxy-pentyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-cyclohexane]-1'-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(1'R,3aS,7aS)-1'-(5-keto-5-methoxy-pentyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-cyclohexane]-1'-carboxylic acid methyl ester
SpectraBase Compound ID 3FXzwOrZFTi
InChI InChI=1S/C20H32O6/c1-23-17(21)11-5-6-12-19(18(22)24-2)13-7-8-14-20(19)25-15-9-3-4-10-16(15)26-20/h15-16H,3-14H2,1-2H3/t15-,16-,19+/m0/s1
InChIKey GHXITKHCOXLYCM-TXPKVOOTSA-N
Mol Weight 368.5 g/mol
Molecular Formula C20H32O6
Exact Mass 368.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErUw2ojwiNN
Name (1'R,3aS,7aS)-1'-(5-keto-5-methoxy-pentyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-cyclohexane]-1'-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O6
InChI InChI=1S/C20H32O6/c1-23-17(21)11-5-6-12-19(18(22)24-2)13-7-8-14-20(19)25-15-9-3-4-10-16(15)26-20/h15-16H,3-14H2,1-2H3/t15-,16-,19+/m0/s1
InChIKey GHXITKHCOXLYCM-TXPKVOOTSA-N
Molecular Weight 368.470 g/mol
SMILES C12([C@](C(=O)OC)(CCCCC(=O)OC)CCCC2)O[C@]2(CCCC[C@@]2(O1)[H])[H]
SPLASH splash10-0a4i-0902000000-e3bd9442a5c9c54c574f
Source of Spectrum KC-0-3444-14
Synonyms (1'R,3aS,7aS)-1'-(5-methoxy-5-oxopentyl)-1'-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-cyclohexane]carboxylic acid methyl ester methyl (1'R,3aS,7aS)-1'-(5-methoxy-5-oxidanylidene-pentyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-cyclohexane]-1'-carboxylate methyl (1'R,3aS,7aS)-1'-(5-methoxy-5-oxo-pentyl)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-cyclohexane]-1'-carboxylate
Wiley ID 782772